4-[4-(4-sulfamoylphenyl)phenyl]benzenesulfonamide

C18H16N2O4S2 — CID 127024992

IUPAC4-[4-(4-sulfamoylphenyl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1
InChIInChI=1S/C18H16N2O4S2/c19-25(21,22)17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)26(20,23)24/h1-12H,(H2,19,21,22)(H2,20,23,24)
InChIKeyBBRAYSOSKRWLLD-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.32
Rot. Bonds4

About 4-[4-(4-sulfamoylphenyl)phenyl]benzenesulfonamide

4-[4-(4-sulfamoylphenyl)phenyl]benzenesulfonamide (PubChem CID 127024992) has the molecular formula C18H16N2O4S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-[4-(4-sulfamoylphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-sulfamoylphenyl)phenyl]benzenesulfonamide
PubChem CID127024992
Molecular FormulaC18H16N2O4S2
Molecular Weight388.47 g/mol
Exact Mass388.06
IUPAC Name4-[4-(4-sulfamoylphenyl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1
InChIInChI=1S/C18H16N2O4S2/c19-25(21,22)17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)26(20,23)24/h1-12H,(H2,19,21,22)(H2,20,23,24)
InChIKeyBBRAYSOSKRWLLD-UHFFFAOYSA-N
XLogP2.32
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-sulfamoylphenyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-sulfamoylphenyl)phenyl]benzenesulfonamide (CID 127024992) is 4-[4-(4-sulfamoylphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-sulfamoylphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-sulfamoylphenyl)phenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(4-sulfamoylphenyl)phenyl]benzenesulfonamide?
The InChIKey is BBRAYSOSKRWLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S2/c19-25(21,22)17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)26(20,23)24/h1-12H,(H2,19,21,22)(H2,20,23,24).
What are the key properties of 4-[4-(4-sulfamoylphenyl)phenyl]benzenesulfonamide?
4-[4-(4-sulfamoylphenyl)phenyl]benzenesulfonamide has a molecular weight of 388.47 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-sulfamoylphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 127024992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).